CAS 444335-16-4

1 2D Structure

CAS 444335-16-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(5R)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

2.1.2 InChI

InChI=1S/C10H9BrFNO3/c11-8-2-1-6(3-9(8)12)13-4-7(5-14)16-10(13)15/h1-3,7,14H,4-5H2/t7-/m1/s1

2.1.3 InChI Key

UGBKYDASQNOIHP-SSDOTTSWSA-N

2.1.4 Canonical SMILES

C1C(OC(=O)N1C2=CC(=C(C=C2)Br)F)CO

2.1.5 Isomeric SMILES

C1[C@@H](OC(=O)N1C2=CC(=C(C=C2)Br)F)CO

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 444335-16-4

2. (5r)-3-(4-bromo-3-fluorophenyl)-5-hydroxymethyloxazolidin-2-one

3. (5r)-3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

4. 2-oxazolidinone, 3-(4-bromo-3-fluorophenyl)-5-(hydroxymethyl)-, (5r)-

5. Tedizolid Impurity 9

6. Mfcd08166353

7. Schembl412800

8. Amy9187

9. Dtxsid30653008

10. Bcp09831

11. Cs-m3231

12. Zinc26896135

13. Akos015917296

14. Ac-6410

15. Ds-16804

16. Db-002321

17. 335b164

18. (5r)-3-(4-bromo-3-fluorophenyl)-5-hydroxymethyloxazolidin-2-onea

19. (5r)3-(4-bromo-3-fluoro-phenyl)-5-hydroxymethyl Oxazolidin-2-one

20. (r)-3-(4-bromo-3-fluorophenyl)-5-(hydroxylmethyl)oxazolidin-2-one

2.3 Create Date

2009-05-29

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉BrFNO₃
Molecular Weight	290.09 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	288.97498 g/mol
Monoisotopic Mass	288.97498 g/mol
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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